3-Bromo-n,n-diethylaniline

Base Information

• Chemical Name: 3-Bromo-n,n-diethylaniline
• CAS No.: 53142-19-1
• Molecular Formula: C10H14 Br N
• Molecular Weight: 228.132
• Hs Code.: 2921420090
• NSC Number: 97237
• DSSTox Substance ID: DTXSID70294590
• Nikkaji Number: J2.118.588D
• Wikidata: Q82033966
• Mol file: 53142-19-1.mol

Synonyms:3-bromo-n,n-diethylaniline;53142-19-1;Benzenamine, 3-bromo-N,N-diethyl-;n,n-diethyl-3-bromoaniline;NSC97237;SCHEMBL7896008;(3-Bromo-phenyl)-diethyl-amine;DTXSID70294590;NSC-97237;AKOS022308835;EN300-217735;F70744;Z654776552

Chemical Property of 3-Bromo-n,n-diethylaniline

Chemical Property:

• Vapor Pressure: 0.00187mmHg at 25°C
• Boiling Point: 292.1°C at 760 mmHg
• PKA: 5.52±0.30(Predicted)
• Flash Point: 130.5°C
• PSA: 3.24000
• Density: 1.291g/cm³
• LogP: 3.29530
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-n,n-diethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=CC=C1)Br

Technology Process of 3-Bromo-n,n-diethylaniline

There total 10 articles about 3-Bromo-n,n-diethylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

ethyl iodide (75-03-6) + m-Bromoaniline (591-19-5) → 3-bromo-bisethyl-aminobenzene (53142-19-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 65 ℃; for 22h;

Reference yield: 69.0%

m-Bromoaniline (591-19-5) + triethyl phosphite (122-52-1) → 3-bromo-bisethyl-aminobenzene (53142-19-1)

Guidance literature:

at 210 ℃; for 3h;

Reference yield: 52.1%

ethanol (64-17-5) + m-nitrobromobenzene (585-79-5) → 3-bromo-bisethyl-aminobenzene (53142-19-1) + m-Bromoaniline (591-19-5)

Guidance literature:

With Au NCs/TiO₂; for 4h; Reagent/catalyst; Kinetics; Inert atmosphere; UV-irradiation;

DOI:10.1039/c2cy20511d

upstream raw materials:

ethyl iodide

m-Bromoaniline

3-bromoacetanilide

3-Bromo-N-ethylaniline

Downstream raw materials:

C₂₁H₂₃BrN₄O₃

diselane-1,2-diylbis(N,N-diethylaniline-3-yl)

N,N-diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

rhodamine B

Refernces

• 1、 Kozma,Estrada Girona,Paci,Lemke,Kele. "Bioorthogonal double-fluorogenic siliconrhodamine probes for intracellular super-resolution microscopy". . p. 6696 - 6699. Retrieved 2017.
• 2、 -. "COLORANT DISPERSION LIQUID AND PRINTING METHOD OF HYDROPHOBIC FIBER". Paragraph 0096-0097. . Retrieved 2021/08/13.